3-溴吡啶-4-甲醇 | 146679-66-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-溴吡啶-4-甲醇
• 中文别名: 3-溴-4-吡啶甲醇
• 英文名称: (3-bromopyridin-4-yl)methanol
• 英文别名: 3-bromo-4-pyridinemethanol；3-bromo-4-(hydroxymethyl)pyridine
• CAS: 146679-66-5
• 化学式: C₆H₆BrNO
• 分子量: 188.024
• InChiKey: LQBUZBOVEZBDEB-UHFFFAOYSA-N

物化性质

• 沸点：
  287.1±25.0 °C(Predicted)
• 密度：
  1.668±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn
• 危险类别码：
  R22
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: (3-Bromopyridin-4-yl)methanol
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: (3-Bromopyridin-4-yl)methanol
CAS number: 146679-66-5

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage: Store in closed vessels.

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H6BrNO
Molecular weight: 188.0

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-溴吡啶-4-甲醇 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以96%的产率得到3-溴-4-(氯甲基)吡啶
  参考文献：
  名称：

  通过发色团破坏实现程序化多烯环化

  摘要：

  开发了一种利用 β-离子酰基衍生物的新多烯环化策略。这些发色团内扩展的π-系统的光诱导解共轭揭示了一种反热力学多烯，它参与赫克双环化以提供[4.4.1]-螺旋桨。该级联改进了使用现有仿生策略实现的有限区域选择性，并且耐受富电子和缺电子（杂）芳基。这种方法的实用性通过紫杉二酮和鼠尾草醇的转移全合成得到了证明，这两种异构体松香二萜以前无法沿着相同的合成途径获得。

  DOI：

  10.1021/jacs.2c02144
• 作为产物：
  描述：

  3-溴异烟酸 在 三乙胺 、 氯甲酸甲酯 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.17h， 以52%的产率得到3-溴吡啶-4-甲醇
  参考文献：
  名称：

  [EN] SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  [FR] COMPOSÉS D'ALDÉHYDES HÉTÉROARYLES SUBSTITUÉS ET LEURS PROCÉDÉS D'UTILISATION DANS L'ACCROISSEMENT DE L'OXYGÉNATION TISSULAIRE

  摘要：

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。

  公开号：

  WO2013102145A1
• 作为试剂：
  描述：

  (E)-4-(6-methoxy-1-oxo-tetralin-2-yl)but-2-enal 、 4-(benzylamino)but-3-en-2-one 在 2-[(3-acetyl-1-benzyl-4H-pyridin-4-yl)methyl]-6-methoxy-tetralin-1-one 、 3-溴吡啶-4-甲醇 、 Petroleum 、 乙酸乙酯 作用下， 以afford the title compound 52 as a yellow oil的产率得到2-[(3-acetyl-1-benzyl-4H-pyridin-4-yl)methyl]-6-methoxy-tetralin-1-one
  参考文献：
  名称：

  OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS

  摘要：

  式(I)的化合物中，虚线表示存在至少一个双键；n = 0至4；R3和R4为H，或当n = 1时，R3和R4也可以共同形成碳原子之间的双键，m = 0、1或2，Z为CH或N，或者Z为C，-CHR3-与环戊酮通过双键连接，或-(-)m-不存在，Z为NH，>N-烷基，>N-苯基，>N-苯甲基或> N杂环芳基；R8为烷基、芳基或杂环芳基，可以选择性地被取代；EWG代表从COOR、COSR、CONRR'、CN、COR、CF3、SOR、SO2R、SONRR'、SO2NRR'、NO2、卤素、杂环芳基中选择的电子吸引基；以及其药物盐和立体异构体。式(I)的化合物在治疗神经退行性疾病，如阿尔茨海默病方面具有很强的疗效。

  公开号：

  US20150353493A1

文献信息

• NAPHTHYRIDINES AS INHIBITORS OF HPK1
  申请人：Genentech, Inc.

  公开号：US20180282328A1

  公开（公告）日：2018-10-04

  Naphthyridine compounds and their use as inhibitors of HPK1 are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the naphthyridine compounds.

  萘啶化合物及其作为HPK1抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫反应方面很有用。还描述了抑制HPK1的方法、治疗HPK1依赖性疾病的方法、增强免疫反应的方法以及制备萘啶化合物的方法。
• ALDOSTERONE SYNTHASE INHIBITORS
  申请人：BALESTRA Michael

  公开号：US20140323468A1

  公开（公告）日：2014-10-30

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 . R 3 , R 4 , R 5 , R 6 , R 7 , W, Y, m and n are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及以下式（I）的化合物及其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、W、Y、m和n如本文所定义。该发明还涉及包括这些化合物的药物组合物，使用这些化合物治疗各种疾病和紊乱的方法，制备这些化合物的方法以及在这些过程中有用的中间体。
• SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150344483A1

  公开（公告）日：2015-12-03

  Provided are substituted heteroaryl aldehydes and derivatives thereof that act as allosteric modulators of hemoglobin, methods and intermediates for their preparation, pharmaceutical compositions comprising the modulators, and methods for their use in treating disorders mediate by hemoglobin and disorders that would benefit from increased tissue oxygenation.

  提供了替代杂环芳醛及其衍生物，其作为血红蛋白的变构调节剂，以及其制备的方法和中间体，包括这些调节剂的药物组合物，以及在治疗由血红蛋白介导的疾病和需要增加组织氧合的疾病中使用它们的方法。
• Method and compositions for identifying anti-HIV therapeutic compounds
  申请人：Arimilli N. Murty

  公开号：US20050239054A1

  公开（公告）日：2005-10-27

  Methods are provided for identifying anti-HIV therapeutic compounds substituted with carboxyl ester or phosphonate ester groups. Libraries of such compounds are screened optionally using the novel enzyme GS-7340 Ester Hydrolase. Compositions and methods relating to GS-7340 Ester Hydrolase also are provided.

  提供了一种识别含有羧酸酯或磷酸酯基团取代的抗HIV治疗化合物的方法。可以选择使用新型酶GS-7340酯水解酶对这类化合物库进行筛选。还提供了与GS-7340酯水解酶相关的组合物和方法。
• [EN] SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS<br/>[FR] COMPOSÉS DE SULFONAMIDE UTILES EN TANT QU'INHIBITEURS DE CYP17
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012015723A1

  公开（公告）日：2012-02-02

  Disclosed are sulfonamide compounds of Formula (I): or stereoisomers, N-oxides, prodrugs, or pharmaceutically acceptable salts thereof, wherein ring A, R1, R2, R3, R4 and R5 are defined herein. Also disclosed are methods of using such compounds in the treatment of conditions related to CYP17 enzyme, such as cancer, and pharmaceutical compositions comprising such compounds.

  公开的是化合物的磺胺类化合物的结构式（I）：或其立体异构体、N-氧化物、前药或其药学上可接受的盐，其中环A、R1、R2、R3、R4和R5在此处定义。还公开了使用这类化合物治疗与CYP17酶相关的疾病的方法，如癌症，并包括这类化合物的药物组合物。